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496775-95-2

496775-95-2 structural image
Product Name: 2-[(2-phenylethyl)thio]nicotinic acid
Formula: C14H13NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 259.33 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 259.06669983 g/mol
Monoisotopic Mass 259.06669983 g/mol
Topological Polar Surface Area 75.5 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 267
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-(2-phenylethylthio)-3-pyridinecarboxylic acid is a member of pyridines and an aromatic carboxylic acid.